CAS号:298-57-7-肉桂嗪 - Cinnarizine-科华智慧

1. 主信息

英文名:	Cinnarizine
中文名:	肉桂嗪
CAS编号:	298-57-7
化学分子式：	C₂₆H₂₈N₂
化学分子量：	368.5 g/mol
SMILES：	C1CN(CCN1CC=CC2=CC=CC=C2)C(C3=CC=CC=C3)C4=CC=CC=C4
来源：	-
结构类型：	-
其它名称或标识：	1-(Diphenylmethyl)-4-(3-phenyl-2-propenyl)piperazine Cinarizina Inkey Cinarizina Ratiopharm Cinarizine Cinazière

2. 供应商与价格

供应商	包装规格	含量	价格(元)	购买	环境要求	货期	说明
科华智慧	100mg	HPLC≥98%	96	点击购买	2-8℃	现货	-
科华智慧	5g	≥98%(HPLC)	115	点击购买	2-8℃	现货	-
科华智慧	25g	≥98%(HPLC)	352	点击购买	2-8℃	现货	-
科华智慧	100g	≥98%(HPLC)	1152	点击购买	2-8℃	现货	-

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3. 结构

3.1 二维结构

3.2 三维结构

-1 -2 -3 56 59 0 0 0 0 0 0 0999 V2000 -1.4225 0.4419 -0.0150 N 0 0 0 0 0 0 0 0 0 0 0 0 1.1797 1.6949 0.1163 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.2433 -0.2971 0.4526 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2798 1.8730 0.2794 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6423 -0.0928 0.5866 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0365 0.2636 -0.1772 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0001 2.4345 -0.3493 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3990 2.2291 -0.4873 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.8653 0.7541 0.2669 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8635 -1.5588 0.2445 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6212 1.5316 0.0322 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.2025 1.7873 1.1176 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.5300 -2.3616 1.1480 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.6008 0.4645 -0.8644 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3915 -2.0420 -0.9589 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.3235 2.5641 0.8246 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.7329 -3.7056 0.8346 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.7218 1.2412 -1.1574 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5945 -3.3860 -1.2724 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4798 0.8653 -0.7560 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.0829 2.2910 -0.3129 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.2654 -4.2177 -0.3756 C 0 0 0 0 0 0 0 0 0 0 0 0 5.6986 0.1799 -0.2950 C 0 0 0 0 0 0 0 0 0 0 0 0 5.8191 -0.1669 1.0415 C 0 0 0 0 0 0 0 0 0 0 0 0 6.7033 -0.1061 -1.2060 C 0 0 0 0 0 0 0 0 0 0 0 0 6.9739 -0.8159 1.4784 C 0 0 0 0 0 0 0 0 0 0 0 0 7.8581 -0.7553 -0.7691 C 0 0 0 0 0 0 0 0 0 0 0 0 7.9933 -1.1102 0.5732 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2670 -1.3620 0.2063 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1594 -0.2340 1.5471 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2638 2.0619 1.3611 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0841 2.4637 -0.1694 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5142 -0.0603 1.6812 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8692 -0.3124 0.2421 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0233 0.0826 -1.2610 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0789 2.3955 -1.4445 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0897 3.4905 -0.0661 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4985 3.2914 -0.2309 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3517 2.1718 -1.5830 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7914 1.6306 1.1005 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.6298 2.0033 2.0144 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.8991 -1.9715 2.0918 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.3439 -0.3243 -1.5611 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8913 -1.4178 -1.6929 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.6065 3.3796 1.4836 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.2560 -4.3530 1.5323 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.3106 1.0327 -2.0460 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2365 -3.7836 -2.2175 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2883 0.8192 -1.8258 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.9554 2.8962 -0.5414 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.4250 -5.2637 -0.6205 H 0 0 0 0 0 0 0 0 0 0 0 0 5.0427 0.0216 1.7762 H 0 0 0 0 0 0 0 0 0 0 0 0 6.6135 0.1650 -2.2546 H 0 0 0 0 0 0 0 0 0 0 0 0 7.0775 -1.0973 2.5224 H 0 0 0 0 0 0 0 0 0 0 0 0 8.6521 -0.9846 -1.4738 H 0 0 0 0 0 0 0 0 0 0 0 0 8.8918 -1.6167 0.9130 H 0 0 0 0 0 0 0 0 0 0 0 0 1 3 1 0 0 0 0 1 4 1 0 0 0 0 1 5 1 0 0 0 0 2 6 1 0 0 0 0 2 7 1 0 0 0 0 2 8 1 0 0 0 0 3 6 1 0 0 0 0 3 29 1 0 0 0 0 3 30 1 0 0 0 0 4 7 1 0 0 0 0 4 31 1 0 0 0 0 4 32 1 0 0 0 0 5 9 1 0 0 0 0 5 10 1 0 0 0 0 5 33 1 0 0 0 0 6 34 1 0 0 0 0 6 35 1 0 0 0 0 7 36 1 0 0 0 0 7 37 1 0 0 0 0 8 11 1 0 0 0 0 8 38 1 0 0 0 0 8 39 1 0 0 0 0 9 12 2 0 0 0 0 9 14 1 0 0 0 0 10 13 2 0 0 0 0 10 15 1 0 0 0 0 11 20 2 0 0 0 0 11 40 1 0 0 0 0 12 16 1 0 0 0 0 12 41 1 0 0 0 0 13 17 1 0 0 0 0 13 42 1 0 0 0 0 14 18 2 0 0 0 0 14 43 1 0 0 0 0 15 19 2 0 0 0 0 15 44 1 0 0 0 0 16 21 2 0 0 0 0 16 45 1 0 0 0 0 17 22 2 0 0 0 0 17 46 1 0 0 0 0 18 21 1 0 0 0 0 18 47 1 0 0 0 0 19 22 1 0 0 0 0 19 48 1 0 0 0 0 20 23 1 0 0 0 0 20 49 1 0 0 0 0 21 50 1 0 0 0 0 22 51 1 0 0 0 0 23 24 2 0 0 0 0 23 25 1 0 0 0 0 24 26 1 0 0 0 0 24 52 1 0 0 0 0 25 27 2 0 0 0 0 25 53 1 0 0 0 0 26 28 2 0 0 0 0 26 54 1 0 0 0 0 27 28 1 0 0 0 0 27 55 1 0 0 0 0 28 56 1 0 0 0 0

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4. 国际命名与标识

4.1 IUPAC Name

1-benzhydryl-4-[(E)-3-phenylprop-2-enyl]piperazine

4.2 InChl

InChI=1S/C26H28N2/c1-4-11-23(12-5-1)13-10-18-27-19-21-28(22-20-27)26(24-14-6-2-7-15-24)25-16-8-3-9-17-25/h1-17,26H,18-22H2/b13-10+

4.3 InChlKey

DERZBLKQOCDDDZ-JLHYYAGUSA-N

4.4 Canonical SMILES

C1CN(CCN1CC=CC2=CC=CC=C2)C(C3=CC=CC=C3)C4=CC=CC=C4

4.5 lsomeric SMILES

C1CN(CCN1C/C=C/C2=CC=CC=C2)C(C3=CC=CC=C3)C4=CC=CC=C4

4.6 SDF文件

                  0  0  0     0  0            999 V3000
M  V30 BEGIN CTAB
M  V30 COUNTS 28 31 0 0 0
M  V30 BEGIN ATOM
M  V30 1 C 3.4641 -2 0 0
M  V30 2 C 2.59808 -1.5 0 0
M  V30 3 N 2.59808 -0.5 0 0
M  V30 4 C 3.4641 -1.38778e-15 0 0
M  V30 5 C 4.33013 -0.5 0 0
M  V30 6 N 4.33013 -1.5 0 0
M  V30 7 C 5.19615 -2 0 0
M  V30 8 C 5.19615 -3 0 0
M  V30 9 C 6.06218 -3.5 0 0
M  V30 10 C 6.9282 -3 0 0
M  V30 11 C 7.79423 -3.5 0 0
M  V30 12 C 8.66025 -3 0 0
M  V30 13 C 8.66025 -2 0 0
M  V30 14 C 7.79423 -1.5 0 0
M  V30 15 C 6.9282 -2 0 0
M  V30 16 C 1.73205 -6.93889e-16 0 0
M  V30 17 C 1.73205 1 0 0
M  V30 18 C 0.866025 1.5 0 0
M  V30 19 C 0.866025 2.5 0 0
M  V30 20 C 1.73205 3 0 0
M  V30 21 C 2.59808 2.5 0 0
M  V30 22 C 2.59808 1.5 0 0
M  V30 23 C 0.866025 -0.5 0 0
M  V30 24 C 0.866025 -1.5 0 0
M  V30 25 C 7.78224e-16 -2 0 0
M  V30 26 C -0.866025 -1.5 0 0
M  V30 27 C -0.866025 -0.5 0 0
M  V30 28 C 0 0 0 0
M  V30 END ATOM
M  V30 BEGIN BOND
M  V30 1 1 1 6
M  V30 2 1 1 2
M  V30 3 1 2 3
M  V30 4 1 3 4
M  V30 5 1 3 16
M  V30 6 1 4 5
M  V30 7 1 5 6
M  V30 8 1 6 7
M  V30 9 1 7 8
M  V30 10 2 8 9
M  V30 11 1 9 10
M  V30 12 1 10 15
M  V30 13 2 10 11
M  V30 14 1 11 12
M  V30 15 2 12 13
M  V30 16 1 13 14
M  V30 17 2 14 15
M  V30 18 1 16 17
M  V30 19 1 16 23
M  V30 20 1 17 22
M  V30 21 2 17 18
M  V30 22 1 18 19
M  V30 23 2 19 20
M  V30 24 1 20 21
M  V30 25 2 21 22
M  V30 26 1 23 28
M  V30 27 2 23 24
M  V30 28 1 24 25
M  V30 29 2 25 26
M  V30 30 1 26 27
M  V30 31 2 27 28
M  V30 END BOND
M  V30 END CTAB
M  END

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5. 波谱数据

5.1 ¹³C核磁共振谱(¹³C NMR)

5.2 ¹H核磁共振谱(¹H NMR)

5.3 质谱(MS)

补充中

5.4 红外光谱(IR)

补充中

5.5 紫外/可见光谱(UV/Vis)

补充中

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6. 相关药材

中文名称

英文名称

拉丁文名称

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7. 相关靶点

基因靶点

靶点位置

参考文献

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8. 相关疾病

疾病名称

疾病类型